N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide

C14H17N5O3S2 — CID 2563452

IUPACN'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESCOCCNc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N5O3S2/c1-22-8-7-15-13-18-19-14(24-13)23-9-11(20)16-17-12(21)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,18)(H,16,20)(H,17,21)
InChIKeyMLTHMAUZNKRINT-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.15
Rot. Bonds8

About N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide

N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (PubChem CID 2563452) has the molecular formula C14H17N5O3S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
PubChem CID2563452
Molecular FormulaC14H17N5O3S2
Molecular Weight367.46 g/mol
Exact Mass367.08
IUPAC NameN'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
SMILESCOCCNc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1
InChIInChI=1S/C14H17N5O3S2/c1-22-8-7-15-13-18-19-14(24-13)23-9-11(20)16-17-12(21)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,18)(H,16,20)(H,17,21)
InChIKeyMLTHMAUZNKRINT-UHFFFAOYSA-N
XLogP1.15
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-[[2-[[5-[(4-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]acetate
CID 7191270
N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-nitrobenzohydrazide
CID 16283677
N'-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]benzohydrazide
CID 2706587
N-(5-((2-morpholino-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 5050278
N-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7969338
4-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 41958056
N'-[2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 2125159
2-fluoro-N'-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 7797553
2-fluoro-N'-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 8228505
N'-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 8349045
2-(4-Fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17427149
N'-[2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-fluorobenzohydrazide
CID 25556113

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide (CID 2563452) is N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is COCCNc1nnc(SCC(=O)NNC(=O)c2ccccc2)s1.
What is the InChIKey of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
The InChIKey is MLTHMAUZNKRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S2/c1-22-8-7-15-13-18-19-14(24-13)23-9-11(20)16-17-12(21)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,15,18)(H,16,20)(H,17,21).
What are the key properties of N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide?
N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide has a molecular weight of 367.46 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzohydrazide is sourced from PubChem (CID 2563452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).